(2S)-2-(pyridin-3-ylamino)propanoic acid

C16H20N4O4 — CID 159663521

IUPAC(2S)-2-(pyridin-3-ylamino)propanoic acid
SMILESC[C@H](Nc1cccnc1)C(=O)O.C[C@H](Nc1cccnc1)C(=O)O
InChIInChI=1S/2C8H10N2O2/c2*1-6(8(11)12)10-7-3-2-4-9-5-7/h2*2-6,10H,1H3,(H,11,12)/t2*6-/m00/s1
InChIKeyMTCPUXCLYMBOJD-HKGPVOKGSA-N
MW332.36 g/mol
LogP1.93
Rot. Bonds6

About (2S)-2-(pyridin-3-ylamino)propanoic acid

(2S)-2-(pyridin-3-ylamino)propanoic acid (PubChem CID 159663521) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is (2S)-2-(pyridin-3-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(pyridin-3-ylamino)propanoic acid
PubChem CID159663521
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name(2S)-2-(pyridin-3-ylamino)propanoic acid
SMILESC[C@H](Nc1cccnc1)C(=O)O.C[C@H](Nc1cccnc1)C(=O)O
InChIInChI=1S/2C8H10N2O2/c2*1-6(8(11)12)10-7-3-2-4-9-5-7/h2*2-6,10H,1H3,(H,11,12)/t2*6-/m00/s1
InChIKeyMTCPUXCLYMBOJD-HKGPVOKGSA-N
XLogP1.93
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-methyl-2-(pyridin-3-ylamino)butanoic acid
CID 59166574
(4S)-2,2-dimethyl-4-(pyridin-3-ylamino)pentan-3-one
CID 71023963
2-anilinopropanoic acid;hydrochloride
CID 19096756
2-(pyridin-3-ylamino)butanoic acid
CID 90735092
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid
CID 116971458
2-[(4-methyl-3-pyridinyl)amino]propanoic acid
CID 66173557
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
2-[(4-phenyl-3-pyridinyl)amino]propanoic acid
CID 68530289
(2S)-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)amino]propanoic acid
CID 151833178
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
(2S)-3-phenyl-2-(pyridin-3-ylamino)propanoic acid;dihydrochloride
CID 141048608

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pyridin-3-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(pyridin-3-ylamino)propanoic acid (CID 159663521) is (2S)-2-(pyridin-3-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(pyridin-3-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(pyridin-3-ylamino)propanoic acid is C[C@H](Nc1cccnc1)C(=O)O.C[C@H](Nc1cccnc1)C(=O)O.
What is the InChIKey of (2S)-2-(pyridin-3-ylamino)propanoic acid?
The InChIKey is MTCPUXCLYMBOJD-HKGPVOKGSA-N. The full InChI is InChI=1S/2C8H10N2O2/c2*1-6(8(11)12)10-7-3-2-4-9-5-7/h2*2-6,10H,1H3,(H,11,12)/t2*6-/m00/s1.
What are the key properties of (2S)-2-(pyridin-3-ylamino)propanoic acid?
(2S)-2-(pyridin-3-ylamino)propanoic acid has a molecular weight of 332.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pyridin-3-ylamino)propanoic acid is sourced from PubChem (CID 159663521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).